N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide

C24H16Cl5FN2O2 — CID 165144570

About N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide

N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide (PubChem CID 165144570) has the molecular formula C24H16Cl5FN2O2 and a molecular weight of 560.67 g/mol. Its IUPAC name is N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide
• PubChem CID: 165144570
• Molecular Formula: C24H16Cl5FN2O2
• Molecular Weight: 560.67 g/mol
• Exact Mass: 557.96
• IUPAC Name: N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide
• SMILES: Cc1cc(F)ccc1C(=O)Nc1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C24H16Cl5FN2O2/c1-11-6-15(30)2-4-17(11)22(33)32-19-10-16(3-5-18(19)27)31-23(34)21-20(24(21,28)29)12-7-13(25)9-14(26)8-12/h2-10,20-21H,1H3,(H,31,34)(H,32,33)
• InChIKey: BXGXOLFUBQCSCG-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.67
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide?

The IUPAC name of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide (CID 165144570) is N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide.

What is the SMILES notation for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide?

The canonical SMILES for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide?

The InChIKey is BXGXOLFUBQCSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl5FN2O2/c1-11-6-15(30)2-4-17(11)22(33)32-19-10-16(3-5-18(19)27)31-23(34)21-20(24(21,28)29)12-7-13(25)9-14(26)8-12/h2-10,20-21H,1H3,(H,31,34)(H,32,33).

What are the key properties of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide?

N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide has a molecular weight of 560.67 g/mol, XLogP of 7.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 165144570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).